SCHEMBL8094593

SCHEMBL8094593

CC(C)CCCCc1ccccc1C(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.38
MAP1LC3A Q9H492 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
FOLH1 Q04609 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNA5 P22460 3/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
LTB4R Q15722 1/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1042260 0.84 SLC16A3 (0.53) SLC16A3ALDH1A1FOLH1CYSLTR2CYSLTR1
SCHEMBL8100390 0.84 KMT2A (0.40) SLC16A3MAP1LC3BMAP1LC3AALDH1A1HTT
SCHEMBL480252 0.84 SLC16A3 (0.53) SLC16A3ALDH1A1FOLH1CYSLTR2CYSLTR1
SCHEMBL466585 0.84 SLC16A3 (0.53) SLC16A3ALDH1A1FOLH1CYSLTR2CYSLTR1
SCHEMBL483196 0.84 SLC16A3 (0.53) SLC16A3ALDH1A1FOLH1CYSLTR2CYSLTR1
SCHEMBL321495 0.84 SLC16A3 (0.53) SLC16A3ALDH1A1FOLH1CYSLTR2CYSLTR1
SCHEMBL6537009 0.84 ALDH1A1 (0.38) SLC16A3ALDH1A1ALOX15TSHRFOLH1
SCHEMBL8033375 0.81 LIPG (0.51) ALDH1A1TSHRCYSLTR2CYSLTR1LMNA
SCHEMBL28328949 0.80 SLC16A3 (0.42) SLC16A3HTTCYSLTR2CYSLTR1KCNA5
SCHEMBL963965 0.80 LIPG (0.54) ALDH1A1TSHRCYSLTR2CYSLTR1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed